Sugi Predict

Sugi Predict / Compounds / SCHEMBL403323

SCHEMBL403323

SCHEMBL403323

CN1CCN(Cc2cc(F)cc(NC(=O)Nc3cccnc3)c2)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.49
▸ HTR1A P08908 2/20 0.48
▸ DRD2 P14416 2/20 0.48
▸ CYP1A2 P05177 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ FAAH O00519 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ LMNA P02545 4/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL402232 0.87 TAAR1 (0.54) TAAR1HTR1ADRD2CYP1A2TSHR
SCHEMBL402971 0.85 TAAR1 (0.51) TAAR1HTR1ADRD2CYP1A2TSHR
SCHEMBL545356 0.83 CYP1A2 (0.56) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL29714039 0.83 TAAR1 (0.56) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL400768 0.83 TAAR1 (0.56) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL3189494 0.82 FAAH (0.56) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL401653 0.82 CYP1A2 (0.50) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL401157 0.82 CYP1A2 (0.50) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL402066 0.82 FAAH (0.54) TAAR1HTR1ADRD2CYP1A2CYP2D6
SCHEMBL545074 0.81 EPHX2 (0.56) TAAR1HTR1ADRD2CYP1A2CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US claimed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US claimed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US claimed
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2015-01-01 — — US claimed
US-20090036447-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. (US) 2009-02-05 — — US claimed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 — — US claimed
US-12264133-B2 Compounds, compositions and methods CYTOKINETICS, INCORPORATED (US) 2025-04-01 — — US disclosed
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2022-06-16 — — US disclosed
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2021-07-01 — — US disclosed
US-10975034-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2021-04-13 — — US disclosed
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2019-11-21 — — US disclosed
US-10385023-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2019-08-20 — — US disclosed
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED 2018-10-25 — — US disclosed
US-20070208000-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-09-06 — — US disclosed
US-20070197505-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-08-23 — — US disclosed
US-20070161617-A1 Certain chemical entities, compositions and methods CYTOKINETICS, INC. 2007-07-12 — — US disclosed
WO-2007070683-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-06-21 — — WO disclosed
EP-1765327-A2 COMPOUNDS, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2007-03-28 — — EP disclosed
WO-2006009726-A2 SUBSTITUTED UREA DERIVATIVES FOR TREATING CARDIAC DISEASES CYTOKINETICS, INC. (US) 2006-01-26 — — WO disclosed
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate CYTOKINETICS, INCORPORATED 2006-01-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070161617-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 TAAR1 4458/4885HTR1A 4023/4885DRD2 4660/4885
US-20060014761-A1 Substituted urea derivatives activate the cardiac sarcomere by potentiating cardiac myosin; systolic heart failure including congestive heart failure; 4-[(3-fluoro-5-{[(6-methyl(3-pyridyl))amino]carbonylamino}-phenyl)methyl]piperazinecarboxylate TNNI3, MYLK2, TNNT2 TAAR1 4246/4885HTR1A 2635/4885DRD2 4395/4885
US-10385023-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20220185779-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-12264133-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20190352267-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20070208000-A1 Certain chemical entities, compositions and methods TNNI3, TNNT2, MYLK2 TAAR1 4458/4885HTR1A 4023/4885DRD2 4660/4885
US-20070197505-A1 Certain chemical entities, compositions and methods TNNC1, TNNI3, TNNT2 TAAR1 2606/4885HTR1A 3122/4885DRD2 4712/4885
US-20150005296-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-10975034-B2 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20090036447-A1 Compounds, Compositions and Methods TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20180305316-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885
US-20210198203-A1 COMPOUNDS, COMPOSITIONS AND METHODS TNNI3, TNNC1, TNNT2 TAAR1 4657/4885HTR1A 3992/4885DRD2 4679/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.